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XYLARENAL-B
SpectraBase Compound ID GiHNgOEDqLe
InChI InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-21(27)29-20-14-13-18(3)24(4)15-19(17(2)16-26)22(28)23-25(20,24)30-23/h16,18-20,23H,2,5-15H2,1,3-4H3/t18-,19-,20+,23?,24+,25?/m0/s1
InChIKey CAFODEOZJJUIRL-FGXZJXDTSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CN9h89zyDuS
Name XYLARENAL-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-21(27)29-20-14-13-18(3)24(4)15-19(17(2)16-26)22(28)23-25(20,24)30-23/h16,18-20,23H,2,5-15H2,1,3-4H3/t18-,19-,20+,23?,24+,25?/m0/s1
InChIKey CAFODEOZJJUIRL-FGXZJXDTSA-N
Literature Reference Author C.J.SMITH,N.R.MORIN,G.F.BILLS,A.W.DOMBROWSKI,G.M.SALITURO,S. K.SMITH,A.ZHAO,D.J.M
Literature Reference Citation J.ORG.CHEM.,67,5001(2002)
Literature Reference DOI 10.1021/jo011054+
Molecular Weight 418.574 g/mol
Solvent CD2Cl2
Source File Reference UWSI21858